C230-0028 Screening compound: 7-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

C230-0028 Screening compound: 7-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
C230-0028 Screening compound: 7-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C230-0028
7-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C230-0028

Molecular Formula

C33H34N2O5S (C33 H34 N2 O5 S)

Compound Name

7-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

IUPAC name

7-(34-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-145678-hexahydroquinoline-3-carboxamide

SMILES

CC(NC(CC(C1)c(cc2)cc(OC)c2OC)=C(C2c(cc3)ccc3SC)C1=O)=C2C(Nc(cc1)ccc1OC)=O

InChI

InChI=1S/C33H34N2O5S/c1-19-30(33(37)35-23-9-11-24(38-2)12-10-23)31(20-6-13-25(41-5)14-7-20)32-26(34-19)16-22(17-27(32)36)21-8-15-28(39-3)29(18-21)40-4/h6-15,18,22,31,34H,16-17H2,1-5H3,(H,35,37)

InChI Key

SGEBLTFVENOUIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06193841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

570.71

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.834

Distribution Coefficient, logD

3.700

Water Solubility, LogSw

-5.60

Polar Surface Area

69.546

Acid Dissociation Constant (pKa)

5.27

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.30

C230-0028 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C230-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C230-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C230-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C230-0028
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C230-0028 available by request